SCHEMBL11458289

SCHEMBL11458289

CC(C)C(N)CCCCCCCCC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
TRPA1 O75762 1/20 0.34
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
OPRM1 P35372 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21574279 0.98 OPRM1 (0.32) TRPV1TRPA1OPRM1
SCHEMBL27726420 0.83 TRPV1 (0.46) TRPV1TRPA1OPRM1SPHK1
SCHEMBL10356278 0.83 TRPV1 (0.46) TRPV1TRPA1OPRM1SPHK1
SCHEMBL11119184 0.83 TRPV1 (0.46) TRPV1TRPA1OPRM1SPHK1
SCHEMBL26863781 0.81 OPRM1 (0.50) TRPV1TRPA1ACACBACACAOPRM1
SCHEMBL9809598 0.81 CYP2D6 (0.35) TRPV1TRPA1
SCHEMBL24996445 0.80 RIPK1 (0.37)
SCHEMBL20763616 0.80 RIPK1 (0.37)
SCHEMBL24996442 0.80 RIPK1 (0.37)
SCHEMBL3689551 0.80 OPRM1 (0.43) TRPV1TRPA1OPRM1SPHK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0015882-A1 Undecanoic acids and esters thereof, and a process for their preparation CIBA-GEIGY AG (CH) 1980-09-17 EP disclosed